Mistake in the IPCM question!
hi everyone,
I had a mistake in my question about IPCM model.
I wrote
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Hi everyone,
What is value of the density used in the isodensity surface construction
in the IPCM model ( I mean what is the default value in GAUSSIAN 94)?
Also the unit of the solute(*) cavity in the IPCM model - is it Angstrom3
(cube)?.
Thanks.
Pradipta
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I want to know the unit of the VOLUME of the solute cavity - I forgot to
add VOLUME in the last mail. Thanks.
Pradipta
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* Dr. Pradipta Bandyopadhyay *
* AMES LAB *
* Department of Chemistry *
* Iowa State Unievrsity *
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